Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLNTSNSPFTEKQVTEINNLLQTLTESQQQWLSGFLLANSNDTTSDSNQQQLETEVWQQSQISEEQATSTTYMLQNKEPHIEANQRHVTVLYGSESGNAMRLAEIFSERLSDIGHQVVLMSMDEYDTTNIAQLEDLFIITSTHGEGEPPDNAWDFFEFLEDDNAPNLNHVRYSVLALGDQTYEFFCQAGKDVDALLENLGAERICKRVDCDIDYEEDAEKWMADIINMIDTTSEGIQSESVISESIKSAKEKKYSKLNPYQAEVLANINLNGTDSNKETRHIEFLLDDFSESYEPGDCIVALPQNDPELVEKLISMLGWDPQSPVPINDRGDTVPIVEALTSHFEFTKLTLPLLKNADIYFDNEELSERIQDESWAREYVINRDFIDLITDFPTIELQPENMYQILRKLPPREYSISSSFMATPDEVHITVGTVRYQAHGRERKGVCSVHFAERIKPGDIVPIYLKKNPNFKFPMKQDIPVIMIGPGTGIAPFRAYLQEREELGMTGKTWLFFGDQHRSSDFLYEEEIEEWLENGNLTRVDLAFSRDQEHKEYVQHRIMEESERFNEWIEQGAAIYICGDEKCMAKDVHQAIKDVLVKERHISQEEAELLLRQMKQQQRYQRDVY |
1DDG Chain:A ((6-374)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YSKDAPLVASLSVNQKITGRNSEKDVRHIEIDLGDSGLRYQPGDALGVWYQNDPALVKELVELLWLKGDEPVTVE--GKTLPLNEALQWHFELTVNTANIVENYATLTRSETLLPLVGDKAKLQHYAATTPIVDMVR-FSPAQLDAEALINLLRPLTPRLYSIASSQAEVENEVHVTVGVVRYDVEGRARAGGASSFLADRVEEEGEVRVFIEHNDNFRLPANPETPVIMIGPGTGIAPFRAFMQQRAADEAPGKNWLFFGNPHFTEDFLYQVEWQRYVKEGVLTRIDLAWSRDQKEKVYVQDKLREQGAELWRWINDGAHIYVCGDANRMAKDVEQALLEVIAEFGGMDTEAADEFLSELRVERRYQRDVY |
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General information:
TITO was launched using:
| RESULT:
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Template: 1DDG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187638 for 3068 contacts (-61.2/contact) +
2D Compatibility (PS) -40063 + (NN) -19065 + (LL) 17116
1D Compatibility (HY) -28000 + (ID) 7700
Total energy: -265350.0 ( -86.49 by residue)
QMean score : 0.562
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